[2,3-dimethyl-4-oxo-6-(trifluoromethyl)-2H-pyran-3-yl] acetate

C10H11F3O4 — CID 23272937

IUPAC[2,3-dimethyl-4-oxo-6-(trifluoromethyl)-2H-pyran-3-yl] acetate
SMILESCC(=O)OC1(C)C(=O)C=C(C(F)(F)F)OC1C
InChIInChI=1S/C10H11F3O4/c1-5-9(3,17-6(2)14)7(15)4-8(16-5)10(11,12)13/h4-5H,1-3H3
InChIKeyOSKFCFGNJMMQFV-UHFFFAOYSA-N
MW252.19 g/mol
LogP1.74
Rot. Bonds1

About [2,3-dimethyl-4-oxo-6-(trifluoromethyl)-2H-pyran-3-yl] acetate

[2,3-dimethyl-4-oxo-6-(trifluoromethyl)-2H-pyran-3-yl] acetate (PubChem CID 23272937) has the molecular formula C10H11F3O4 and a molecular weight of 252.19 g/mol. Its IUPAC name is [2,3-dimethyl-4-oxo-6-(trifluoromethyl)-2H-pyran-3-yl] acetate.

Molecular Properties

Compound Name[2,3-dimethyl-4-oxo-6-(trifluoromethyl)-2H-pyran-3-yl] acetate
PubChem CID23272937
Molecular FormulaC10H11F3O4
Molecular Weight252.19 g/mol
Exact Mass252.06
IUPAC Name[2,3-dimethyl-4-oxo-6-(trifluoromethyl)-2H-pyran-3-yl] acetate
SMILESCC(=O)OC1(C)C(=O)C=C(C(F)(F)F)OC1C
InChIInChI=1S/C10H11F3O4/c1-5-9(3,17-6(2)14)7(15)4-8(16-5)10(11,12)13/h4-5H,1-3H3
InChIKeyOSKFCFGNJMMQFV-UHFFFAOYSA-N
XLogP1.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2,3-dimethyl-6-(trifluoromethyl)-2H-pyran-4-one
CID 23272727
3-Acetoxy-6-trifluoromethyl-2,3-dihydro-4-pyrone
CID 129782896
4H-Pyran-4-one, 3-(acetyloxy)-2,3-dihydro-3-methyl-6-(trifluoromethyl)-
CID 12311764
[2,2-dimethyl-4-oxo-6-(trifluoromethyl)-3H-pyran-3-yl] acetate
CID 12311765
[(2S,3S)-2-methyl-4-oxo-6-(trifluoromethyl)-2,3-dihydropyran-3-yl] acetate
CID 23272815

Frequently Asked Questions

What is the IUPAC name of [2,3-dimethyl-4-oxo-6-(trifluoromethyl)-2H-pyran-3-yl] acetate?
The IUPAC name of [2,3-dimethyl-4-oxo-6-(trifluoromethyl)-2H-pyran-3-yl] acetate (CID 23272937) is [2,3-dimethyl-4-oxo-6-(trifluoromethyl)-2H-pyran-3-yl] acetate.
What is the SMILES notation for [2,3-dimethyl-4-oxo-6-(trifluoromethyl)-2H-pyran-3-yl] acetate?
The canonical SMILES for [2,3-dimethyl-4-oxo-6-(trifluoromethyl)-2H-pyran-3-yl] acetate is CC(=O)OC1(C)C(=O)C=C(C(F)(F)F)OC1C.
What is the InChIKey of [2,3-dimethyl-4-oxo-6-(trifluoromethyl)-2H-pyran-3-yl] acetate?
The InChIKey is OSKFCFGNJMMQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O4/c1-5-9(3,17-6(2)14)7(15)4-8(16-5)10(11,12)13/h4-5H,1-3H3.
What are the key properties of [2,3-dimethyl-4-oxo-6-(trifluoromethyl)-2H-pyran-3-yl] acetate?
[2,3-dimethyl-4-oxo-6-(trifluoromethyl)-2H-pyran-3-yl] acetate has a molecular weight of 252.19 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dimethyl-4-oxo-6-(trifluoromethyl)-2H-pyran-3-yl] acetate is sourced from PubChem (CID 23272937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).